SCHEMBL17684587

SCHEMBL17684587

COC(=O)C1CCC(CNC(=O)c2c(Br)nc(Cl)n2Cc2ccc(C)cc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 2/20 0.43
▸ CACNA1I Q9P0X4 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.41
▸ GNRHR P30968 1/20 0.40
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ CNR1 P21554 1/20 0.39
▸ P2RX3 P56373 1/20 0.39
▸ F10 P00742 1/20 0.38
▸ TP53 P04637 4/20 0.37
▸ LMNA P02545 2/20 0.37
▸ PTGER4 P35408 1/20 0.37
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ MMP13 P45452 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ NAPEPLD Q6IQ20 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL17684584 1.00 KCNH2 (0.43) KCNH2CACNA1IALDH1A1GNRHRMEN1
SCHEMBL17684511 0.89 PTGER4 (0.49) KCNH2CACNA1IGNRHRP2RX3PTGER4
SCHEMBL17684514 0.89 PTGER4 (0.49) KCNH2CACNA1IGNRHRP2RX3PTGER4
SCHEMBL16305063 0.85 KCNH2 (0.41) KCNH2CACNA1IALDH1A1GNRHRMEN1
SCHEMBL17684732 0.83 KCNH2 (0.39) KCNH2CACNA1IALDH1A1GNRHRMEN1
SCHEMBL17684735 0.83 KCNH2 (0.39) KCNH2CACNA1IALDH1A1GNRHRMEN1
SCHEMBL17684666 0.82 KCNH2 (0.38) KCNH2CACNA1IALDH1A1GNRHRMEN1
SCHEMBL17728260 0.82 KCNH2 (0.38) KCNH2CACNA1IALDH1A1GNRHRMEN1
SCHEMBL16304461 0.81 KCNH2 (0.45) KCNH2CACNA1IALDH1A1GNRHRMEN1
SCHEMBL17684804 0.81 KCNH2 (0.45) KCNH2CACNA1IALDH1A1GNRHRMEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3009426-B1 4-ALKYNYL IMIDAZOLE DERIVATIVE AND MEDICINE COMPRISING SAME AS ACTIVE INGREDIENT KAKEN PHARMA CO LTD (JP) 2018-05-02 — — EP disclosed
US-9855257-B2 4-alkynyl imidazole derivative and medicine comprising same as active ingredient KAKEN PHARMACEUTICAL CO., LTD. (JP) 2018-01-02 — — US disclosed
US-20170128431-A1 4-ALKYNYL IMIDAZOLE DERIVATIVE AND MEDICINE COMPRISING SAME AS ACTIVE INGREDIENT KAKEN PHARMACEUTICAL CO., LTD. (JP) 2017-05-11 — — US disclosed
US-9593081-B2 4-alkynyl imidazole derivative and medicine comprising same as active ingredient KAKEN PHARMACEUTICAL CO., LTD. (JP) 2017-03-14 — — US disclosed
US-20160130232-A1 4-ALKYNYL IMIDAZOLE DERIVATIVE AND MEDICINE COMPRISING SAME AS ACTIVE INGREDIENT KAKEN PHARMACEUTICAL CO., LTD. (JP) 2016-05-12 — — US disclosed
EP-3009426-A1 4-ALKYNYL IMIDAZOLE DERIVATIVE AND MEDICINE COMPRISING SAME AS ACTIVE INGREDIENT Kaken Pharmaceutical Co., Ltd. (JP) 2016-04-20 — — EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20160130232-A1 4-ALKYNYL IMIDAZOLE DERIVATIVE AND MEDICINE COMPRISING SAME AS ACTIVE INGREDIENT PTGER4, IL4, PTGER1 KCNH2 2063/4885CACNA1I 1404/4885ALDH1A1 652/4885
US-20170128431-A1 4-ALKYNYL IMIDAZOLE DERIVATIVE AND MEDICINE COMPRISING SAME AS ACTIVE INGREDIENT PTGER4, IL4, PTGER1 KCNH2 1967/4885CACNA1I 1023/4885ALDH1A1 358/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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